9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole

C57H60N6 — CID 58663535

IUPAC9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCC1c2c(c3ccccc3n2-c2cc(-c3ccc(N4c5ccccc5C5CCN(C)C(C)C54)cc3)cc(-c3ccc(N4c5ccccc5C5CCN(C)C(C)C54)cc3)c2)CCN1C
InChIInChI=1S/C57H60N6/c1-36-55-49(27-30-58(36)4)46-13-7-10-16-52(46)61(55)43-23-19-39(20-24-43)41-33-42(35-45(34-41)63-54-18-12-9-15-48(54)51-29-32-60(6)38(3)57(51)63)40-21-25-44(26-22-40)62-53-17-11-8-14-47(53)50-28-31-59(5)37(2)56(50)62/h7-26,33-38,49-50,55-56H,27-32H2,1-6H3
InChIKeyIEDHFTQQTFEMMR-UHFFFAOYSA-N
MW829.15 g/mol
LogP12.17
Rot. Bonds5

About 9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole

9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole (PubChem CID 58663535) has the molecular formula C57H60N6 and a molecular weight of 829.15 g/mol. Its IUPAC name is 9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
PubChem CID58663535
Molecular FormulaC57H60N6
Molecular Weight829.15 g/mol
Exact Mass828.49
IUPAC Name9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCC1c2c(c3ccccc3n2-c2cc(-c3ccc(N4c5ccccc5C5CCN(C)C(C)C54)cc3)cc(-c3ccc(N4c5ccccc5C5CCN(C)C(C)C54)cc3)c2)CCN1C
InChIInChI=1S/C57H60N6/c1-36-55-49(27-30-58(36)4)46-13-7-10-16-52(46)61(55)43-23-19-39(20-24-43)41-33-42(35-45(34-41)63-54-18-12-9-15-48(54)51-29-32-60(6)38(3)57(51)63)40-21-25-44(26-22-40)62-53-17-11-8-14-47(53)50-28-31-59(5)37(2)56(50)62/h7-26,33-38,49-50,55-56H,27-32H2,1-6H3
InChIKeyIEDHFTQQTFEMMR-UHFFFAOYSA-N
XLogP12.17
TPSA21.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.15
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole with MolForge

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Related Compounds

9-[6-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)-4-[4-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]-2-pyridinyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58663524
9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58663611
9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58663548
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58663490
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 70916078
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146609195
3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
CID 138601418
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158535060
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 71287167

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole (CID 58663535) is 9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole is CC1c2c(c3ccccc3n2-c2cc(-c3ccc(N4c5ccccc5C5CCN(C)C(C)C54)cc3)cc(-c3ccc(N4c5ccccc5C5CCN(C)C(C)C54)cc3)c2)CCN1C.
What is the InChIKey of 9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The InChIKey is IEDHFTQQTFEMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H60N6/c1-36-55-49(27-30-58(36)4)46-13-7-10-16-52(46)61(55)43-23-19-39(20-24-43)41-33-42(35-45(34-41)63-54-18-12-9-15-48(54)51-29-32-60(6)38(3)57(51)63)40-21-25-44(26-22-40)62-53-17-11-8-14-47(53)50-28-31-59(5)37(2)56(50)62/h7-26,33-38,49-50,55-56H,27-32H2,1-6H3.
What are the key properties of 9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole has a molecular weight of 829.15 g/mol, XLogP of 12.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 58663535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).